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CHEBI:127952 - (2S)-2-[(4S,5S)-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:127952
ChEBI Name(2S)-2-[(4S,5S)-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC24H33N3O4S
Net Charge0
Average Mass459.612
Monoisotopic Mass459.21918
SMILESC[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)CC1CC1
InChIInChI=1S/C24H33N3O4S/c1-17-13-27(18(2)16-28)32(29,30)24-9-8-20(21-5-4-10-25-12-21)11-22(24)31-23(17)15-26(3)14-19-6-7-19/h4-5,8-12,17-19,23,28H,6-7,13-16H2,1-3H3/t17-,18-,23+/m0/s1
InChIKeyGLPBKLWDLUWEIQ-IUKKYPGJSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[(4S,5S)-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-8-(3-pyridinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:127952) is a aromatic ether (CHEBI:35618)
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